(E)-3-[2-(oxan-3-yloxy)phenyl]prop-2-en-1-amine

C14H19NO2 — CID 117338381

IUPAC(E)-3-[2-(oxan-3-yloxy)phenyl]prop-2-en-1-amine
SMILESNC/C=C/c1ccccc1OC1CCCOC1
InChIInChI=1S/C14H19NO2/c15-9-3-6-12-5-1-2-8-14(12)17-13-7-4-10-16-11-13/h1-3,5-6,8,13H,4,7,9-11,15H2/b6-3+
InChIKeyXDAIOYFFNXNWOT-ZZXKWVIFSA-N
MW233.31 g/mol
LogP2.22
Rot. Bonds4

About (E)-3-[2-(oxan-3-yloxy)phenyl]prop-2-en-1-amine

(E)-3-[2-(oxan-3-yloxy)phenyl]prop-2-en-1-amine (PubChem CID 117338381) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (E)-3-[2-(oxan-3-yloxy)phenyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-[2-(oxan-3-yloxy)phenyl]prop-2-en-1-amine
PubChem CID117338381
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(E)-3-[2-(oxan-3-yloxy)phenyl]prop-2-en-1-amine
SMILESNC/C=C/c1ccccc1OC1CCCOC1
InChIInChI=1S/C14H19NO2/c15-9-3-6-12-5-1-2-8-14(12)17-13-7-4-10-16-11-13/h1-3,5-6,8,13H,4,7,9-11,15H2/b6-3+
InChIKeyXDAIOYFFNXNWOT-ZZXKWVIFSA-N
XLogP2.22
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-3-[2-(oxan-4-yloxy)phenyl]prop-2-en-1-amine
CID 117338379
3-naphthalen-1-yloxyoxane
CID 107137916
3-[2-(chloromethyl)phenoxy]oxane
CID 107135119
3-[2-(oxan-3-yloxy)phenyl]propanal
CID 117340444
2-amino-3-(oxan-3-yloxy)phenol
CID 107134115
(E)-3-(2-cyclobutyloxy-3-methoxyphenyl)prop-2-en-1-amine
CID 117338371
1-[[2-(oxan-3-yloxy)phenyl]methyl]cyclopropan-1-ol
CID 117374038
(1S)-1-[2-(oxan-3-yloxy)phenyl]propan-1-ol
CID 107135067
2-methyl-3-(oxan-3-yloxy)phenol
CID 107135241
(E)-3-(2-cyclopropyloxy-5-fluorophenyl)prop-2-en-1-amine
CID 117295806
3-[2-(oxan-3-yloxy)phenyl]-1,2-oxazol-5-amine
CID 117404865
3-[2-methoxy-3-(oxan-3-yloxy)phenyl]propan-1-amine
CID 117417565

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(oxan-3-yloxy)phenyl]prop-2-en-1-amine?
The IUPAC name of (E)-3-[2-(oxan-3-yloxy)phenyl]prop-2-en-1-amine (CID 117338381) is (E)-3-[2-(oxan-3-yloxy)phenyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-3-[2-(oxan-3-yloxy)phenyl]prop-2-en-1-amine?
The canonical SMILES for (E)-3-[2-(oxan-3-yloxy)phenyl]prop-2-en-1-amine is NC/C=C/c1ccccc1OC1CCCOC1.
What is the InChIKey of (E)-3-[2-(oxan-3-yloxy)phenyl]prop-2-en-1-amine?
The InChIKey is XDAIOYFFNXNWOT-ZZXKWVIFSA-N. The full InChI is InChI=1S/C14H19NO2/c15-9-3-6-12-5-1-2-8-14(12)17-13-7-4-10-16-11-13/h1-3,5-6,8,13H,4,7,9-11,15H2/b6-3+.
What are the key properties of (E)-3-[2-(oxan-3-yloxy)phenyl]prop-2-en-1-amine?
(E)-3-[2-(oxan-3-yloxy)phenyl]prop-2-en-1-amine has a molecular weight of 233.31 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(oxan-3-yloxy)phenyl]prop-2-en-1-amine is sourced from PubChem (CID 117338381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).